Table 1.

Hydrogen-bond geometry (Å, °).

D–H…A	D–H	H…A	D…A	D–H…A
C1
N1–H1…S5i	0.89(3)	2.37(4)	3.261(2)	175(3)
i = −x, 2 − y, −z
C12
N1–H1…N63i	0.92(3)	1.88(3)	2.789(3)	171(2)
i = x, 3/2 − y, −1/2 + z
C13
N1–H1…N63i	0.99(3)	1.83(3)	2.815(4)	170(3)
C43–H43…N2ii	0.93	2.53	3.435(4)	164
C46–H46…S5iii	0.93	2.84	3.675(4)	150
C65–H65…S5iv	0.93	2.87	3.714(4)	152
C31–H312…Sv	0.97	2.87	3.552(4)	129
i = −1 + x, 1 + y, z; ii = x, −1+y, z; iii = −x, 1 − y, 1 − z; iv = −x, 1 − y, −z; v = 1 + x, y, z